Geometry & MOs

Info

ID:	278025
PubChem CID:	103832823
Reduced:	ON2C17H24 (1)
Stoich.:	AB2C17D24 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-42.04
Dipole, Da:	2.87
IP(EA), eV:	-8.8(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-1-(2-pyridin-4-ylpyrrolidin-1-yl)hexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCCN2C(=O)[C@H]3CCCCN3

DOS

IR

Vibrations